N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(p-tolylsulfonylamino)propanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[(4-methylphenyl)sulfonylamino]propanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-[(4-methylphenyl)sulfonylamino]propanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(tosylamino)propionamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H26N4O3S2/c1-15-7-9-16(10-8-15)30(27,28)22-13-11-20(26)23-19(12-14-29-2)21-24-17-5-3-4-6-18(17)25-21/h3-10,19,22H,11-14H2,1-2H3,(H,23,26)(H,24,25)